HRID1556363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID2733180

未命名化合物

HCID2776438

2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid

C11H6F3NO3

HCID17999304

tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate

C14H22N4O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)CC1

HCID52937267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5ec1b58116f4c2cbab68865870d6a84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:46][P+:47]([N:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1)([N:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1)[N:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH2:75]([Cl:76])[Cl:77].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[c:21]1(-[c:27]2[o:28][c:29]([C:35]([F:36])([F:37])[F:38])[c:30]([C:32](=[O:33])[OH:34])[n:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([NH:20][C:32]([c:30]3[c:29]([C:35]([F:36])([F:37])[F:38])[o:28][c:27](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[n:31]3)=[O:33])[cH:18][cH:19]2)[CH2:12][CH2:13]1